(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C14H18N2OS — CID 81370935

IUPAC(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCc2nc(C)cs2)cc1
InChIInChI=1S/C14H18N2OS/c1-10-9-18-14(16-10)8-15-11(2)12-4-6-13(17-3)7-5-12/h4-7,9,11,15H,8H2,1-3H3/t11-/m1/s1
InChIKeyHKBLIHHUZXUPQL-LLVKDONJSA-N
MW262.38 g/mol
LogP3.31
Rot. Bonds5

About (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 81370935) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID81370935
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCc2nc(C)cs2)cc1
InChIInChI=1S/C14H18N2OS/c1-10-9-18-14(16-10)8-15-11(2)12-4-6-13(17-3)7-5-12/h4-7,9,11,15H,8H2,1-3H3/t11-/m1/s1
InChIKeyHKBLIHHUZXUPQL-LLVKDONJSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370937
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 71864791
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 63238910
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
(2R)-2-(4-methoxyphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 30955486
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 81370935) is (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is COc1ccc([C@@H](C)NCc2nc(C)cs2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is HKBLIHHUZXUPQL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-9-18-14(16-10)8-15-11(2)12-4-6-13(17-3)7-5-12/h4-7,9,11,15H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81370935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).